| CAS Number | 27291-96-9 |
| Catalog Number | AG00JWEP(AGN-PC-00OC1K) |
| Chemical Name | Benzene-1,2-disulfonamide |
| IUPAC Name | benzene-1,2-disulfonamide |
| InChI | InChI=1S/C6H8N2O4S2/c7-13(9,10)5-3-1-2-4-6(5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12) |
| InChI Key | VJDZMZAZDFKMSV-UHFFFAOYSA-N |
| MDL Number | MFCD11106178 |
| Molecular Formula | C6H8N2O4S2 |
| Molecular Weight | 236.2687 |
| SMILES | NS(C1=C(S(N)(=O)=O)C=CC=C1)(=O)=O |
| Synonyms | benzene-1,2-disulfonamide,
1,2-Benzenedisulfonamide,
27291-96-9,
benzenedisulfonamide,
SCHEMBL202947,
CHEMBL3526398,
KS-00001PJV,
VJDZMZAZDFKMSV-UHFFFAOYSA-N,
MFCD11106178,
ZINC34175209,
AKOS009344772,
MCULE-6020317978,
CS-0092810,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.26g/mol |
| Monoisotopic Mass | 235.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number